| SpectraBase Compound ID | Eug2cta628O |
|---|---|
| InChI | InChI=1S/C33H58OSi/c1-9-10-23-35(7,8)34-30-19-16-26(4)29(24-30)18-17-28-15-12-22-33(6)31(20-21-32(28)33)27(5)14-11-13-25(2)3/h17-18,25,27,30-32H,4,9-16,19-24H2,1-3,5-8H3/b28-17+,29-18-/t27-,30?,31-,32+,33-/m1/s1 |
| InChIKey | GPULEFPQISWEDP-XXWZVKBOSA-N |
| Mol Weight | 498.9 g/mol |
| Molecular Formula | C33H58OSi |
| Exact Mass | 498.425693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E7n5yimW6aV |
|---|---|
| Name | Cholecalciferol dmbs iv |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 498.425693022 u |
| Formula | C33H58OSi |
| InChI | InChI=1S/C33H58OSi/c1-9-10-23-35(7,8)34-30-19-16-26(4)29(24-30)18-17-28-15-12-22-33(6)31(20-21-32(28)33)27(5)14-11-13-25(2)3/h17-18,25,27,30-32H,4,9-16,19-24H2,1-3,5-8H3/b28-17+,29-18-/t27-,30?,31-,32+,33-/m1/s1 |
| InChIKey | GPULEFPQISWEDP-XXWZVKBOSA-N |
| Molecular Weight | 498.911 g/mol |
| SMILES | [C@]12([C@@]([C@](CC2)([C@@](CCCC(C)C)(C)[H])[H])(CCC\C1=C\C=C\1CC(O[Si](CCCC)(C)C)CCC1=C)C)[H] |